ethyl 1-[(E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(E)-3-(6-ethoxy-3-phenyl-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(6-ethoxy-3-phenyl-5-benzofuranyl)-1-oxobut-2-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-(6-ethoxy-3-phenyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(6-ethoxy-3-phenyl-benzofuran-5-yl)but-2-enoyl]isonipecotic acid ethyl ester Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=CC=C3)C(=CC(=O)N4CCC(CC4)C(=O)OCC)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=CC=C3)/C(=C/C(=O)N4CCC(CC4)C(=O)OCC)/C

InChI

InChI=1S/C28H31NO5/c1-4-32-25-17-26-23(24(18-34-26)20-9-7-6-8-10-20)16-22(25)19(3)15-27(30)29-13-11-21(12-14-29)28(31)33-5-2/h6-10,15-18,21H,4-5,11-14H2,1-3H3/b19-15+